[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H24N2O5S/c1-14-5-8-17(9-6-14)22-19(23)13-27-20(24)10-11-21-28(25,26)18-12-15(2)4-7-16(18)3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23)